amino}acetic acid structure](/static/products/6689/66895-91-8.webp)
2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
TL;DR: 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid (CAS 66895-91-8) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
Also Known As: N-Phenethyl-N-tosylglycine, BAS 00646500, [Phenethyl-(toluene-4-sulfonyl)-amino]-acetic acid, 2-[(4-methylphenyl)sulfonyl-phenethylamino]acetic acid, N-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)glycine
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 66895-91-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O |
| InChIKey | NLUNKKRKOJXXNM-UHFFFAOYSA-N |
Product Overview
2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid (CAS 66895-91-8), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetic acid.
Chemical Property Profile of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
Property Insights of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
The XLogP value of 3.0 indicates that 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid. Following Lipinski's Rule of Five, 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid?
The CAS number of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid is 66895-91-8.
What is the molecular formula of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid?
The molecular formula of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid is C17H19NO4S.
What is the molecular weight of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid?
The molecular weight of 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid is 333.10 g/mol.
Where can I buy 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid?
You can request a quote for 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.